1193-21-1 | 4,6-Dichloropyrimidine

Packsize	Purity	Availability	Price	Discounted Price
5g	>98.0%(GC)	in stock	$18.00	$12.00
25g	96%	in stock	$34.00	$24.00
100g	96%	in stock	$74.00	$52.00
500g	96%	in stock	$251.00	$176.00

Description

• Catalog Number: AA23823
• Chemical Name: 4,6-Dichloropyrimidine
• CAS Number: 1193-21-1
• Molecular Formula: C4H2Cl2N2
• Molecular Weight: 148.9781
• MDL Number: MFCD12923091
• SMILES: Clc1ncnc(c1)Cl
• NSC Number: 37530

Computed Properties

• Complexity: 70.4
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 2
• XLogP3: 2.1

Upstream Synthesis Route

4,6-Dichloropyrimidine is a versatile compound commonly used in chemical synthesis due to its unique properties. This organic compound serves as a key building block in the creation of various pharmaceuticals, pesticides, and other fine chemicals. In chemical synthesis, 4,6-Dichloropyrimidine acts as a valuable intermediate in the production of diverse compounds with important biological activities. It is often employed in the synthesis of pyrimidine-based drugs, such as antiviral and anticancer agents. Additionally, this compound plays a crucial role in the development of herbicides and insecticides by serving as a precursor in the creation of active ingredients that target specific biological pathways in plants and pests.Moreover, the reactivity and structural characteristics of 4,6-Dichloropyrimidine make it an essential component in the preparation of specialty chemicals used in various industrial applications. By incorporating this compound into synthetic pathways, chemists can efficiently access a wide range of complex molecules with tailored properties and functions.

Literature

• Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing.

  Journal of medicinal chemistry 20111222

• Molecular structure, harmonic and anharmonic frequency calculations of 2,4-dichloropyrimidine and 4,6-dichloropyrimidine by HF and density functional methods.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110501

• Expanding the diversity of allosteric bcr-abl inhibitors.

  Journal of medicinal chemistry 20101014

• meso-Pyrimidinyl-substituted A2B- and A3-corroles.

  The Journal of organic chemistry 20100319

• Synthesis and highly selective bromination of Azacalix[4]pyrimidine macrocycles.

  The Journal of organic chemistry 20100205

• 1,4-Bis(6-chloro-pyrimidin-4-yl-oxy)benzene.

  Acta crystallographica. Section E, Structure reports online 20090201

• Comparative computational and experimental study on the thermochemistry of the chloropyrimidines.

  The journal of physical chemistry. B 20070201

• Allosteric inhibitors of Bcr-abl-dependent cell proliferation.

  Nature chemical biology 20060201

• 5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.

  Organic & biomolecular chemistry 20040321